SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4420-7
Cu2-xSe is a leading p-type thermoelectric material owing to its phonon-liquid electron-crystal (PLEC) behavior, yet the atomic-scale mechanisms governing Cu+ migration remain unresolved. This study employs in situ high-resolution neutron diffraction coupled with maximum entropy method (MEM) analysis to map the temperature-dependent evolution of Cu+ nuclear density in β-Cu2Se and β-Cu1.95Se. At 398–423 K, intra-tetrahedral Cu 8c ↔ 32f <111> hopping emerges, with isosurface values of 0.505 fm Å-3 for β-Cu2Se and 0.484 fm Å-3 for β-Cu1.95Se. Above 448 K, inter-tetrahedral pathways form via Cu 32f ↔ 32f <100> or 32f ↔ 4b ↔ 32f <111> migration, as revealed by line scans along [1̅11̅] up to 723 K. The presence of Cu vacancies (x = 0.05) alters the onset and connectivity of these pathways, directly impacting phonon scattering and electron transport. These findings establish a structural basis for controlling Cu+ mobility, offering a rational route to mitigate Cu precipitation and enhance zT stability beyond 1.5 at 900 K. The work bridges microstructural dynamics and thermoelectric performance, providing critical guidance for defect engineering in superionic thermoelectrics.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4493-8
Metal halide perovskite photovoltaics have achieved power conversion efficiencies rivaling crystalline silicon, yet their transition from laboratory-scale devices to commercial deployment requires a paradigm shift toward application-specific engineering and macroscopic system integration. This review systematically evaluates the customized deployment of perovskite solar cells (PSCs) across diverse operational theaters, including building-integrated photovoltaics (BIPV), portable Internet of Things (IoT) systems, agricultural photovoltaics (Agri-PV), vehicle-integrated photovoltaics (VIPV), utility-scale tandems, and extreme space environments. Despite these opportunities, critical challenges persist in translating laboratory achievements into industrial-scale production. We critically evaluate primary bottlenecks hindering gigawatt-scale commercialization, focusing on the performance gap inherent in large-area manufacturing. Additionally, we analyze intrinsic material instabilities driven by dynamic ion migration and multi-scale lattice strain under realistic outdoor conditions. To conclude, we outline a strategic roadmap for overcoming these barriers, emphasizing lattice strain regulation, rigorous dynamic environmental testing protocols, and comprehensive sustainable lifecycle management. By synergizing mechanistic insights with scalable manufacturing and ecological assessments, this review provides a holistic framework to accelerate the ubiquitous commercialization of customizable, stable, and high-efficiency perovskite energy systems.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3803-8
The molecular copolymerization of donor-acceptor (D-A) interactions has been effectively utilized to modulate the charge transfer dynamics in polymeric carbon nitride (PCN) photocatalysts. Herein, a D-A configured photocatalyst (TPCN) was constructed by copolymerizing 4,4’,4’’-(1,3,5-triazine-2,4,6-triyl) trianiline (TAPT) as the electron donor with triazine units (electron acceptor). The unique propeller structure of TAPT, combined with the triazine framework, expanded the π-conjugated system and induced a strong built-in electric field (BIEF) across the D-A configuration. Theoretical calculations and transient absorption spectroscopy revealed that this synergistic effect facilitated intramolecular charge separation and widened the range of light absorption, indicating accelerated charge transfer and suppressed recombination in TPCN. The optimized TPCN3 sample exhibited dramatically enhanced photocatalytic H2O2 production (1.74 mmol g−1 h−1), representing a 13.4-fold increase over pristine PCN. Additionally, the TPCN3 sample also exhibited significantly faster degradation kinetics than PCN counterpart toward various emerging contaminants. This work demonstrates a promising strategy for designing efficient metal-free photocatalysts for sustainable H2O2 production and environmental remediation.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3679-8
Idiopathic pulmonary fibrosis (IPF) is a chronic interstitial lung disease with high mortality and limited therapeutic options. Dysregulated macrophage polarization drives fibroblast activation and epithelial-mesenchymal transition (EMT), yet no effective management exists. Here, we develop an inhalable methane nanocapsule (MNC) that spatiotemporally controls methane release in the lung to remodel the fibrogenic microenvironment. MNC is formulated via self-assembly of biodegradable poly(lactic-co-glycolic acid)-polyethylene glycol (PLGA-PEG) and a novel acid-responsive methane prodrug Fe(BPY)2(CH3)2, enhancing mucosal penetration and sustained methane release in acidic inflammatory niches. In a bleomycin (BLM)-induced pulmonary fibrosis model, MNC inhalation achieves efficient lung deposition and sustained methane release, significantly reducing inflammation, ameliorating fibrosis, and improving lung function without systemic side effects. Mechanistically, MNC rebalances macrophage polarization by inhibiting M2 phenotype overexpression and downregulates the MMP9/TIMP-1 ratio to suppress myofibroblast proliferation and EMT, synergistically halting fibrotic progression. This inhalable methane nanocapsule offers a promising strategy for safe and effective IPF treatment.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3773-7
Kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cells suffer from significant open-circuit voltage (VOC) deficits due to severe interfacial and bulk recombination, restricting their power conversion efficiency (PCE) far below the Shockley-Queisser limit. This work proposes a low-temperature annealing strategy during ITO sputtering (SA) to synergistically address these challenges. The temperature applied during ITO sputtering not only improves the crystallinity, carrier concentration, and optical transmittance of the ITO layer but also promotes the diffusion of In from ITO into both CdS and CZTSSe layers. Consequently, lattice matching at the CZTSSe/CdS interface is optimized, enabling epitaxial growth. And a favorable ITO/In:CdS/In&Cd:CZTSSe structure with optimal band alignment is obtained. As a result, a champion device with a PCE of 14.29% was achieved. The SA-treating also enabled the CZTSSe solar cells to achieve the highest VOC reported to date, exceeding 590 mV. This underscores the essential role of SA processing in optimizing interface engineering and suppressing defects, thus promoting the development of low-cost, high-performance kesterite photovoltaics.
Journal of Fuel Chemistry and Technology•2026•DOI: 10.3724/2097-213X.2025.JFCT.0025
Endogenous alkali and alkaline earth metals (AAEMs) in biomass ash and pyrolysis temperature significantly influence the properties of pyrolysis polygeneration products. This study selected potassium (K+) and calcium (Ca2+) as representative AAEMs, added them at mass ratios of 2%, 5%, and 7% to corn stover via impregnation, and conducted fixed-bed pyrolysis at 400, 500, and 600 °C to investigate the yields and compositions of gas, liquid, and solid products. Results showed that increasing metal ion concentration significantly increased biochar yield, with Ca2+ at 7% achieving 24.96% biochar yield, while bio-oil yield generally decreased. Ca2+ strongly promoted H2 formation due to its Lewis acidity, reaching 32.49% in gas at 7% concentration, and facilitated furan enrichment to 65.88%. K+ at low concentrations favored phenolic formation, while high concentrations promoted ketones and intensified bio-oil cracking. Increasing temperature from 400 to 600 °C decreased biochar yield and increased gas yield, with high temperatures enhancing secondary cracking and reforming, significantly raising H2 and CH4 yields while suppressing oxygenates. At 600 °C, K+ catalysis increased acids to 39.41%, while Ca2+ maintained furans at 65.89%. This study demonstrates that adjusting metal ion concentration and temperature enables directional regulation of high-value bio-oil components and high-energy gases, providing a theoretical basis for optimized biomass pyrolysis utilization.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025112601
The pervasive presence of tetracycline (TC) in aquatic environments poses significant ecological and public health risks. This study reports the synthesis of MIL-101-Bim, a covalently modified metal-organic framework (MOF), via a pre-modification strategy that introduces formyl groups into the MIL-101(Cr) framework (MIL-101-CHO), followed by Schiff base condensation and NaBH4 reduction to graft benzimidazole moieties. Powder X-ray diffraction (PXRD) and scanning electron microscopy (SEM) confirmed retention of the parent MIL-101(Cr) topology. Fourier-transform infrared (FT-IR) spectroscopy verified successful functionalization. 1H NMR analysis of digested MIL-101-Bim revealed a benzimidazole modification degree of 41%, with 32% of formyl groups reduced to hydroxymethyl and 27% remaining unreacted. Thermogravimetric analysis (TGA) demonstrated good thermal stability. Nitrogen adsorption-desorption measurements showed a specific surface area of 1361 m2·g−1 and pore sizes ranging from 1 to 2.3 nm. Adsorption kinetics for TC on both materials followed a pseudo-second-order model, and isotherm data fitted the Langmuir model. The theoretical maximum adsorption capacity of MIL-101-Bim for TC was 86.31 mg·g−1, significantly higher than that of MIL-101-CHO (39.56 mg·g−1). Zeta potential measurements indicated optimal adsorption performance at pH 5–8. X-ray photoelectron spectroscopy (XPS) provided evidence of hydrogen bond formation during adsorption. The adsorption mechanism involves both physical adsorption (pore filling, electrostatic interactions, π-π stacking) and chemical adsorption (weak hydrogen bonding). Regeneration studies showed that MIL-101-Bim retained an adsorption capacity of 46.93 mg·g−1 after five cycles, demonstrating promising reusability.
Journal of Environmental Engineering Technology•2026•DOI: 10.13205/j.hjgc.202606007
Cobalt-aluminum spinel metal oxides derived from hydrotalcite were synthesized via hydrothermal, coprecipitation, and sol-gel methods, and their catalytic performance for NO oxidation was systematically evaluated. Characterization by X-ray photoelectron spectroscopy (XPS), O2 temperature-programmed desorption (O2-TPD), H2 temperature-programmed reduction (H2-TPR), and Raman spectroscopy revealed that the synthesis method significantly influences the surface Co2+/Co3+ ratio, which in turn modulates the formation of surface oxygen vacancies. The hydrothermally synthesized catalyst (CoAlO-H) exhibited the highest density of surface oxygen vacancies, leading to enhanced adsorption and activation of gaseous oxygen and superior NO oxidation activity compared to coprecipitation (CoAlO-C) and sol-gel (CoAlO-S) counterparts. Mechanistic studies using NO-TPD, NO+O2-TPD, and in situ diffuse reflectance infrared Fourier transform spectroscopy (in situ DRIFTS) identified nitrates as key intermediates. Notably, CoAlO-C and CoAlO-S followed the Langmuir-Hinshelwood (L-H) mechanism, whereas CoAlO-H operated via both L-H and Mars-van Krevelen (MvK) mechanisms. The exceptional performance of CoAlO-H is attributed to its abundant surface oxygen vacancies, high surface oxygen mobility, and low decomposition temperature of reaction intermediates. These findings provide a rational basis for designing efficient non-precious metal catalysts for NO oxidation in diesel exhaust aftertreatment.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3787-x
Circumventing the tumor's defensive antioxidant system and achieving precision cancer therapy remain major challenges in high-efficacy tumor treatments. Here, we propose a synergistic strategy integrating non-oxidative physical ablation and oxidative chemical intervention. An acid-responsive self-collapsing nanomineral PCSB is constructed, comprising poly(acrylic acid)-modified calcium sulfite (CaSO3) and a pH-responsive photoacoustic (PA) therapeutic molecule, aza-BDP. In the tumor acidic microenvironment, PCSB decomposes, releasing PA agents and SO2/Ca2+, thereby enabling combined non-oxidative mechanical damage from PA therapy and oxidative chemical damage from SO2 gas and Ca2+ ions. This dual-action approach effectively reduces resistance conferred by tumor antioxidant mechanisms and improves treatment precision. The study presents a synergistic physical-chemical strategy with significant potential for solid tumor elimination.
Chinese Journal of Environmental Engineering•2026•DOI: 10.12030/j.cjee.202509004
Acetone, a widely used solvent in the pharmaceutical industry, poses environmental and economic challenges due to its high volatility and the low concentration of acetone in water-based absorbents, which complicates recovery. This study proposes a composite absorbent comprising 1,4-butanediol (BDO), triethylene glycol, sodium citrate, and water, aiming to enhance acetone absorption capacity and enable cost-effective resource recovery. Response surface methodology optimized the absorbent composition to BDO 35%, triethylene glycol 10%, and sodium citrate 5%, achieving an acetone absorption capacity of 51.97 g·kg−1, which is 2.39 times that of pure water (21.77 g·kg−1). Density functional theory (DFT) calculations and AIM topological analysis revealed that BDO forms stronger hydrogen bonds with acetone, characterized by shorter bond lengths and higher electron density, underpinning its superior molecular recognition and absorption capability. Process simulation of absorption-regeneration cycles demonstrated that, compared to pure water, the composite absorbent reduces absorbent consumption by 36.2% and regeneration energy consumption by 41.15% while achieving effluent acetone concentrations below 100 mg·m−3. This multi-scale investigation, spanning macroscopic experiments, molecular mechanisms, and process simulation, validates the feasibility and advantages of BDO-based composite absorbents for VOC control, providing theoretical and data support for the engineering application of alcohol-based absorbents in efficient organic pollutant separation.
Environmental Chemistry•2026•DOI: 10.7524/j.issn.0254-6108.2025032704
Chlorogenic acid (CGA), a key component of the anti-COVID drug Lianhua Qingwen, is recalcitrant to biodegradation and tends to bioaccumulate, posing risks to aquatic ecosystems. Conventional water treatment methods are inadequate for its removal. This study investigated the degradation of CGA using a magnetic field coupled Fe-C activated persulfate (MF/Fe-C/PS) advanced oxidation process. The degradation efficiencies of Fe-C, PS, Fe-C/PS, and MF/Fe-C/PS systems were compared, and the dominant reactive species and their contributions were identified. The effects of initial pH, persulfate (PS) concentration, Fe-C dosage, and inorganic anions on degradation kinetics were examined, along with the degradation pathway and disinfection byproduct (DBP) formation potential. Results showed that MF/Fe-C/PS achieved 99% degradation of CGA within 60 min under optimal conditions: pH=3, PS concentration 1.5 mmol·L−1, and Fe-C dosage 0.4 g·L−1. Coexisting Cl−, Br−, and I− inhibited CGA oxidation to varying degrees, as did natural organic matter (FA and BAS). The reactive species SO4−·, ·OH, and 1O2 contributed 41.6%, 30.5%, and 27.9%, respectively. Degradation mechanisms included hydrolysis, dehydroxylation, decarboxylation, and benzene ring cleavage. Pre-oxidation by MF/Fe-C/PS significantly reduced the DBP formation potential during subsequent chlorination/chloramination. Energy per order (EE/O) analysis indicated favorable economic efficiency.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-025-3951-4
Silicon anodes offer an ultrahigh theoretical capacity (4200 mAh g−1) but suffer from >300% volumetric expansion during cycling and unstable solid electrolyte interphase (SEI) formation, leading to rapid capacity fading. Here, we design a hierarchical composite p-cSi@aSi@MgSiN2@C featuring a porous crystalline-amorphous silicon core (p-cSi@aSi), an in-situ MgSiN2 transition layer, and an outer nitrogen-doped carbon shell. The 3D interconnected pores accommodate volume expansion, while amorphous silicon enables isotropic lithiation-induced strain, eliminating crystalline phase transition barriers. The MgSiN2 layer transforms into a tough Li3N-rich SEI with ultra-fast ion channels, and the carbon shell provides mechanical confinement and electronic conductivity. This synergistic interface engineering achieves an initial coulombic efficiency (ICE) of 81.4%, a charge transfer resistance of 16.4 Ω after 200 cycles (64% reduction), and a Li+ diffusion coefficient of 1.72×10−11 cm2 s−1. The anode delivers 1719.3 mAh g−1 at 0.2 C after 200 cycles and 823.8 mAh g−1 at 0.5 C after 500 cycles. The molten salt electrolysis synthesis achieves a current efficiency of 68.12% and specific energy consumption of 12.76 kWh kg−1, with an estimated electricity cost of 1154.69 USD ton−1, only 20% of commercial Si/C anodes. This work resolves the ICE-cycle life trade-off and provides a scalable, cost-effective approach for next-generation high-energy batteries.
SCIENCE CHINA Materials•2026•DOI: 10.1007/s40843-026-4184-6
The industrial production of ε-caprolactam, the essential precursor for nylon-6, is a cornerstone of the modern polymer industry. Historically, this process evolved from energy-intensive non-catalytic routes to the more atom-economical ammoximation of cyclohexanone over titanosilicate catalysts using H2O2 as a green oxidant. Despite this progress, the reliance on concentrated H2O2 presents a significant sustainability bottleneck, as its commercial production via the anthraquinone process is energy-intensive, waste-prone, and involves hazardous transportation. A more sustainable ideal reaction involves the direct use of H2 and O2 to generate active oxygen species in situ. However, implementing this bifunctional route has long been thwarted by high noble metal loadings, poor H2 efficiency due to the rapid decomposition of intermediate H2O2, and the inherent instability of catalysts in the alkaline aqueous media required for ammoximation. In the January 2026 issue of Nature Catalysis, Wu and colleagues report a breakthrough by engineering a titanium-mordenite-confined, low-loaded Pd catalyst (0.055 wt% Pd@A-Ti-MOR-R) that achieves exceptional efficiency and industrial-grade longevity for direct ammoximation in water. The researchers proposed a “structured” solution to spatial confinement by utilizing an acid-treated Ti-MOR (A-Ti-MOR) featuring specific Ti-OH defect sites adjacent to silanol nests. These defects act as precise anchors to stabilize subnanometric Pd2 clusters, ensuring that the Pd and Ti active sites remain in “atomic proximity” within the 8-ring side pockets of the zeolite. This atomic-level configuration was rigorously verified using spherical-aberration-corrected annular dark field scanning transmission electron microscopy (ADF-STEM), which identifies bright contrasts from subnanometric Pd clusters with diameters below 0.5 nm near the framework pores. Furthermore, Pd K-edge extended X-ray-absorption fine-structure (EXAFS) analysis confirms the formation of Pd–O–Ti bridges through the identification of a specific scattering path at 3.67 Å, proving that the Pd clusters are chemically bonded to the framework Ti sites.